REMARK  Name = BDB016495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.490  -0.478  -2.902  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.011  -0.179  -1.574  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.751   1.094  -1.243  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.317   1.030   0.032  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.732   2.217   0.683  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        0.625   1.934   1.472  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.309   0.969   1.504  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -0.320   2.964   1.863  0.00  0.00    +0.104 C 
ATOM      9  C   LIG    1       -1.659   2.801   1.132  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -1.569   3.071  -0.381  0.00  0.00    +0.025 C 
ATOM     11  C   LIG    1       -2.688   2.395  -1.190  0.00  0.00    +0.143 C 
ATOM     12  N   LIG    1       -2.700   0.942  -1.110  0.00  0.00    -0.271 N 
ATOM     13  N   LIG    1       -3.874   0.278  -1.049  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1       -3.515  -0.966  -0.708  0.00  0.00    +0.144 A 
ATOM     15  C   LIG    1       -2.118  -1.112  -0.595  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1       -1.285  -2.174  -0.075  0.00  0.00    +0.075 A 
ATOM     17  N   LIG    1       -0.211  -1.734   0.616  0.00  0.00    -0.242 NA
ATOM     18  C   LIG    1        0.589  -2.654   1.210  0.00  0.00    +0.126 A 
ATOM     19  C   LIG    1        1.686  -2.088   2.064  0.00  0.00    +0.267 C 
ATOM     20  N   LIG    1        2.096  -0.797   1.784  0.00  0.00    -0.277 N 
ATOM     21  H   LIG    1        2.476  -0.264   2.559  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        2.081  -2.694   3.056  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        0.350  -4.017   1.149  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -0.757  -4.452   0.420  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -1.596  -3.519  -0.197  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -1.622   0.119  -0.969  0.00  0.00    +0.118 A 
ATOM     27  O   LIG    1        2.120   3.364   0.477  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1        2.369  -0.316   0.510  0.00  0.00    +0.084 A 
ATOM     29  C   LIG    1        2.773  -1.066  -0.570  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0